CID 134987616

C10H22AlLiN4 — CID 134987616

IUPAC—
SMILESCN1CCN([Al-]N2CCN(C)CC2)CC1.[Li+]
InChIInChI=1S/2C5H11N2.Al.Li/c2*1-7-4-2-6-3-5-7;;/h2*2-5H2,1H3;;/q2*-1;2*+1
InChIKeyVDNQQVBROOVWGQ-UHFFFAOYSA-N
MW232.24 g/mol
LogP-3.98
Rot. Bonds2

About CID 134987616

CID 134987616 (PubChem CID 134987616) has the molecular formula C10H22AlLiN4 and a molecular weight of 232.24 g/mol.

Molecular Properties

Compound NameCID 134987616
PubChem CID134987616
Molecular FormulaC10H22AlLiN4
Molecular Weight232.24 g/mol
Exact Mass232.18
IUPAC Name—
SMILESCN1CCN([Al-]N2CCN(C)CC2)CC1.[Li+]
InChIInChI=1S/2C5H11N2.Al.Li/c2*1-7-4-2-6-3-5-7;;/h2*2-5H2,1H3;;/q2*-1;2*+1
InChIKeyVDNQQVBROOVWGQ-UHFFFAOYSA-N
XLogP-3.98
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 5-3.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of CID 134987616?
The IUPAC name of CID 134987616 (CID 134987616) is not available.
What is the SMILES notation for CID 134987616?
The canonical SMILES for CID 134987616 is CN1CCN([Al-]N2CCN(C)CC2)CC1.[Li+].
What is the InChIKey of CID 134987616?
The InChIKey is VDNQQVBROOVWGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H11N2.Al.Li/c2*1-7-4-2-6-3-5-7;;/h2*2-5H2,1H3;;/q2*-1;2*+1.
What are the key properties of CID 134987616?
CID 134987616 has a molecular weight of 232.24 g/mol, XLogP of -3.98, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134987616 is sourced from PubChem (CID 134987616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).